N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide

C26H36N2O5S — CID 3202615

IUPACN-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCCOCCCN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1cc(OC)ccc1OC
InChIInChI=1S/C26H36N2O5S/c1-4-33-15-8-14-28(24(29)18-21-11-7-16-34-21)25(26(30)27-19-9-5-6-10-19)22-17-20(31-2)12-13-23(22)32-3/h7,11-13,16-17,19,25H,4-6,8-10,14-15,18H2,1-3H3,(H,27,30)
InChIKeyRZEMXASJFDFPKG-UHFFFAOYSA-N
MW488.65 g/mol
LogP4.36
Rot. Bonds13

About N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide

N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3202615) has the molecular formula C26H36N2O5S and a molecular weight of 488.65 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID3202615
Molecular FormulaC26H36N2O5S
Molecular Weight488.65 g/mol
Exact Mass488.23
IUPAC NameN-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCCOCCCN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1cc(OC)ccc1OC
InChIInChI=1S/C26H36N2O5S/c1-4-33-15-8-14-28(24(29)18-21-11-7-16-34-21)25(26(30)27-19-9-5-6-10-19)22-17-20(31-2)12-13-23(22)32-3/h7,11-13,16-17,19,25H,4-6,8-10,14-15,18H2,1-3H3,(H,27,30)
InChIKeyRZEMXASJFDFPKG-UHFFFAOYSA-N
XLogP4.36
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.65
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide
CID 3202329
N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide
CID 3202875
N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-fluorophenyl)acetamide
CID 3202751
N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 1083847
(2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 98097835
N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3191075
(2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide
CID 25310056
N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 3202654
N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3184904
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3202922
N-cyclopentyl-2-(4-methoxyphenyl)-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202722
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide
CID 3202441

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3202615) is N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide is CCOCCCN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1cc(OC)ccc1OC.
What is the InChIKey of N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is RZEMXASJFDFPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O5S/c1-4-33-15-8-14-28(24(29)18-21-11-7-16-34-21)25(26(30)27-19-9-5-6-10-19)22-17-20(31-2)12-13-23(22)32-3/h7,11-13,16-17,19,25H,4-6,8-10,14-15,18H2,1-3H3,(H,27,30).
What are the key properties of N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide?
N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 488.65 g/mol, XLogP of 4.36, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3202615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).